UCSF

ZINC32908387

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.02 5.55 -47.27 4 7 1 94 346.386 5
Hi High (pH 8-9.5) 0.02 3.36 -16.36 3 7 0 93 345.378 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )